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7MB5
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SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp5/6 (P6-P1)
分子名称: 3C-like proteinase, SER-GLY-VAL-THR-PHE-GLN
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
7MB6
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SARS-CoV-2 Main Protease (Mpro) C145A in Complex with Cleavage Site Nsp6/7 (P6-P1)
分子名称: 3C-like proteinase, LYS-VAL-ALA-THR-VAL-GLN
著者Lockbaum, G.J, Schiffer, C.A.
登録日2021-03-31
公開日2022-06-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
Nat Commun, 13, 2022
3Q06
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An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity
分子名称: Cellular tumor antigen p53, DNA (26-MER), ZINC ION
著者Petty, T.J, Halazonetis, T.D.
登録日2010-12-15
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献An induced fit mechanism regulates p53 DNA binding kinetics to confer sequence specificity.
Embo J., 30, 2011
1D2V
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CRYSTAL STRUCTURE OF BROMIDE-BOUND HUMAN MYELOPEROXIDASE ISOFORM C AT PH 5.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BROMIDE ION, ...
著者Fiedler, T.J, Davey, C.A, Fenna, R.E.
登録日1999-09-28
公開日2000-04-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献X-ray crystal structure and characterization of halide-binding sites of human myeloperoxidase at 1.8 A resolution.
J.Biol.Chem., 275, 2000
2YHU
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Trypanosoma brucei PTR1 in complex with inhibitor WHF30
分子名称: 3-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1-THIOPHEN-2-YLPROPAN-1-ONE, ACETATE ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P.
登録日2011-05-06
公開日2012-05-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
3SL1
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Crystal Structure of P. falciparum arginase complexed with 2-amino-6-borono-2-methylhexanoic acid
分子名称: 6-(dihydroxyboranyl)-2-methyl-L-norleucine, Arginase, MANGANESE (II) ION
著者Dowling, D.P, Ilies, M, Christianson, D.W.
登録日2011-06-23
公開日2011-07-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Binding of alpha , alpha-disubstituted amino acids to arginase suggests new avenues for inhibitor design.
J.Med.Chem., 54, 2011
3SL0
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Crystal Structure of P. falciparum arginase complexed with 2-amino-6-borono-2-(difluoromethyl)hexanoic acid
分子名称: 2-(difluoromethyl)-6-(dihydroxyboranyl)-L-norleucine, Arginase, MANGANESE (II) ION
著者Dowling, D.P, Ilies, M, Christianson, D.W.
登録日2011-06-23
公開日2011-07-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Binding of alpha , alpha-disubstituted amino acids to arginase suggests new avenues for inhibitor design.
J.Med.Chem., 54, 2011
2YHI
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Trypanosoma brucei PTR1 in complex with inhibitor WH16
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
著者Nerini, E, Dawson, A, Hunter, W.N, Costi, M.P.
登録日2011-05-03
公開日2012-05-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Exploiting the 2-Amino-1,3,4-thiadiazole Scaffold To Inhibit Trypanosoma brucei Pteridine Reductase in Support of Early-Stage Drug Discovery.
ACS Omega, 2, 2017
6B8U
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Crystals Structure of B-Raf kinase domain in complex with an Imidazopyridinyl benzamide inhibitor
分子名称: Serine/threonine-protein kinase B-raf, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide
著者Appleton, B.A, Murray, J, Shafer, C.M.
登録日2017-10-09
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
5ZTK
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Synchrotron structure of light-driven chloride pump having an NTQ motif
分子名称: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
著者Yun, J.H, Park, J.H, Park, S.Y, Lee, W.
登録日2018-05-04
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency
J. Biol. Chem., 294, 2019
5ZTL
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Non-cryogenic structure of light-driven chloride pump having an NTQ motif
分子名称: CHLORIDE ION, Chloride pumping rhodopsin, OLEIC ACID, ...
著者Yun, J.H, Park, S.Y, Liu, H, Lee, W.
登録日2018-05-04
公開日2018-12-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Non-cryogenic structure of a chloride pump provides crucial clues to temperature-dependent channel transport efficiency
J. Biol. Chem., 294, 2019
2BBD
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Crystal Structure of the STIV MCP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, coat protein
著者Khayat, R.
登録日2005-10-17
公開日2005-12-06
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure of an archaeal virus capsid protein reveals a common ancestry to eukaryotic and bacterial viruses.
Proc.Natl.Acad.Sci.Usa, 102, 2005
7Z60
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Human transthyretin (TTR) complexed with Quercetin 3-O-beta-D-galactoside
分子名称: 1,2-ETHANEDIOL, 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one, IMIDAZOLE, ...
著者Ciccone, L, Braca, A, Orlandini, E, Nencetti, S.
登録日2022-03-10
公開日2022-05-18
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Antioxidant Quercetin 3-O-Glycosylated Plant Flavonols Contribute to Transthyretin Stabilization
Crystals, 12, 2022
2N0X
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Three dimensional structure of EPI-X4, a human albumin-derived peptide that regulates innate immunity through the CXCR4/CXCL12 chemotactic axis and antagonizes HIV-1 entry
分子名称: Serum albumin
著者Perez-Castells, J, Canales, A, Jimenez-Barbero, J, Gimenez-Gallego, G.
登録日2015-03-18
公開日2015-04-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Discovery and characterization of an endogenous CXCR4 antagonist.
Cell Rep, 11, 2015
2REU
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BU of 2reu by Molmil
Crystal Structure of the C-terminal of Sau3AI fragment
分子名称: MAGNESIUM ION, Type II restriction enzyme Sau3AI
著者Hu, X, Yu, F, Xu, C, He, J.
登録日2007-09-27
公開日2008-09-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure and function of C-terminal Sau3AI domain
Biochim.Biophys.Acta, 1794, 2009
3U1R
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Structure Analysis of A New Psychrophilic Marine Protease
分子名称: Alkaline metalloprotease, CALCIUM ION, ZINC ION
著者Zhang, S.-C, Sun, M, Tang, L, Wang, Q.-H, Hao, J.-H, Han, Y, Hu, X.-J, Zhou, M, Lin, S.-X.
登録日2011-09-30
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure analysis of a new psychrophilic marine protease.
Plos One, 6, 2011
3BKD
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High resolution Crystal structure of Transmembrane domain of M2 protein
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Transmembrane Domain of Matrix protein M2, ...
著者Stouffer, A.L, Acharya, R, Salom, D.
登録日2007-12-06
公開日2008-01-29
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis for the function and inhibition of an influenza virus proton channel
Nature, 451, 2008
4LWD
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Human CARMA1 CARD domain
分子名称: Caspase recruitment domain-containing protein 11, MAGNESIUM ION, SULFATE ION
著者Zheng, C, Wu, H.
登録日2013-07-26
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Structural Architecture of the CARMA1/Bcl10/MALT1 Signalosome: Nucleation-Induced Filamentous Assembly.
Mol.Cell, 51, 2013
3CZR
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Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Arylsulfonylpiperazine Inhibitor
分子名称: (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase isozyme 1, ...
著者Wang, Z, Sudom, A, Walker, N.P.
登録日2008-04-29
公開日2008-06-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1)
Bioorg.Med.Chem.Lett., 18, 2008
2C0N
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Crystal Structure of A197 from STIV
分子名称: 1,4-DIETHYLENE DIOXIDE, A197, NICKEL (II) ION, ...
著者Larson, E.T, Reiter, D, Young, M, Lawrence, C.M.
登録日2005-09-06
公開日2005-09-29
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure of A197 from Sulfolobus Turreted Icosahedral Virus: A Crenarchaeal Viral Glycosyltransferase Exhibiting the Gt-A Fold.
J.Virol., 80, 2006
4DXW
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Crystal structure of NavRh, a voltage-gated sodium channel
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, Ion transport protein, ...
著者Zhang, X, Ren, W.L, Yan, C.Y, Wang, J.W, Yan, N.
登録日2012-02-28
公開日2012-05-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.052 Å)
主引用文献Crystal structure of an orthologue of the NaChBac voltage-gated sodium channel
Nature, 486, 2012
2CO5
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F93 FROM STIV, a winged-helix DNA-binding protein
分子名称: VIRAL PROTEIN F93
著者Larson, E.T, Reiter, D, Lawrence, C.M.
登録日2006-05-25
公開日2006-05-31
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Winged-Helix Protein from Sulfolobus Turreted Icosahedral Virus Points Toward Stabilizing Disulfide Bonds in the Intracellular Proteins of a Hyperthermophilic Virus.
Virology, 368, 2007
1US1
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Crystal structure of human vascular adhesion protein-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Airenne, T.T, Nymalm, Y, Kidron, H, Soderholm, A, Johnson, M.S, Salminen, T.A.
登録日2003-11-17
公開日2005-02-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structure of the Human Vascular Adhesion Protein-1: Unique Structural Features with Functional Implications.
Protein Sci., 14, 2005
1UMR
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Crystal structure of the platelet activator convulxin, a disulfide linked a4b4 cyclic tetramer from the venom of Crotalus durissus terrificus
分子名称: CONVULXIN ALPHA, CONVULXIN BETA
著者Murakami, M.T, Zela, S.P, Gava, L.M, Michelan-Duarte, S, Cintra, A.C.O, Arni, R.K.
登録日2003-08-28
公開日2003-11-21
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Platelet Activator Convulxin, a Disulfide Linked A4B4 Cyclic Tetramer from the Venom of Crotalus Durissus Terrificus
Biochem.Biophys.Res.Commun., 310, 2003
1UMV
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Crystal structure of an acidic, non-myotoxic phospholipase A2 from the venom of Bothrops jararacussu
分子名称: CALCIUM ION, HYPOTENSIVE PHOSPHOLIPASE A2
著者Murakami, M.T, Watanabe, L, Cintra, A.C.O, Arni, R.K.
登録日2003-08-28
公開日2003-09-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal Structure of an Acidic Platelet Aggregation Inhibitor and Hypotensive Phospholipase A(2) in the Monomeric and Dimeric States: Insights Into its Oligomeric State
Biochem.Biophys.Res.Commun., 323, 2004

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